4-[2-(4-methylphenyl)-3-methylsulfonyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]butanoic acid

Systemtic Name: 4-[2-(4-methylphenyl)-3-methylsulfonyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]butanoic acid Openeye Name: 4-[4-hydroxy-3-methylsulfonyl-5-oxo-2-(p-tolyl)-2H-pyrrol-1-yl]butanoic acid CAS Name: 4-[4-hydroxy-2-(4-methylphenyl)-3-methylsulfonyl-5-oxo-2H-pyrrol-1-yl]butanoic acid IUPAC Name: 4-[4-hydroxy-2-(4-methylphenyl)-3-methylsulfonyl-5-oxo-2H-pyrrol-1-yl]butanoic acid Traditional Name: 4-[3-hydroxy-2-keto-4-mesyl-5-(p-tolyl)-3-pyrrolin-1-yl]butyric acid Formula: C16H19NO6S MolecularWeight: 353.39016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(C(=O)N2CCCC(=O)O)O)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2C(=C(C(=O)N2CCCC(=O)O)O)S(=O)(=O)C

InChI

InChI=1S/C16H19NO6S/c1-10-5-7-11(8-6-10)13-15(24(2,22)23)14(20)16(21)17(13)9-3-4-12(18)19/h5-8,13,20H,3-4,9H2,1-2H3,(H,18,19)